Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QLE3AUF3ZD
EPA CompTox DTXSID30287307

Structure

InChI Key BIFDXOOJPDHKJH-UHFFFAOYSA-N
Smiles ClC(=O)N1CCCCC1
InChI
InChI=1S/C6H10ClNO/c7-6(9)8-4-2-1-3-5-8/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl1N1O1
Molecular Weight 147.05
AlogP 1.83
Hydrogen Bond Acceptor 1.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 13939-69-0
NORMAN SUSDAT
FDA SRS QLE3AUF3ZD